FJ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F14	C13	sing	1.40Å	1.33Å
F16	C13	sing	1.40Å	1.33Å
C13	C09	sing	1.51Å	1.49Å
C13	F15	sing	1.40Å	1.33Å
N08	C09	doub	1.31Å	1.34Å	Aromatic
N08	N07	sing	1.40Å	1.33Å	Aromatic
C09	C05	sing	1.40Å	1.45Å	Aromatic
N07	C06	sing	1.33Å	1.35Å	Aromatic
C05	C06	doub	1.39Å	1.44Å	Aromatic
C05	C04	sing	1.47Å	1.47Å
C06	C03	sing	1.51Å	1.51Å
O12	C04	doub	1.21Å	1.23Å
C04	C01	sing	1.52Å	1.48Å
C03	C02	sing	1.53Å	1.50Å
C01	C02	sing	1.53Å	1.50Å
C02	C10	sing	1.53Å	1.50Å
C02	C11	sing	1.53Å	1.50Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
N07	H5	sing	0.97Å	1.00Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F14	C13	F16	109.7°	109.4°
F14	C13	C09	110.0°	109.5°
F14	C13	F15	110.2°	109.5°
F16	C13	C09	107.2°	109.4°
F16	C13	F15	109.7°	109.5°
C09	C13	F15	110.0°	109.5°
C13	C09	N08	123.1°	126.2°
C13	C09	C05	129.0°	126.2°
C09	N08	N07	110.2°	109.1°
N08	C09	C05	107.8°	107.6°
N08	N07	C06	110.9°	108.5°
N08	N07	H5	124.5°	125.7°
C09	C05	C06	103.5°	107.6°
C09	C05	C04	137.2°	130.8°
N07	C06	C05	107.6°	107.1°
N07	C06	C03	131.3°	129.8°
C06	N07	H5	124.5°	125.7°
C06	C05	C04	119.3°	121.6°
C05	C06	C03	121.1°	123.1°
C05	C04	O12	119.9°	122.5°
C05	C04	C01	118.8°	115.1°
C06	C03	C02	112.5°	109.2°
C06	C03	H3	108.7°	109.6°
C06	C03	H4	108.7°	109.5°
O12	C04	C01	121.2°	122.4°
C04	C01	C02	113.7°	108.4°
C04	C01	H1	108.4°	109.6°
C04	C01	H2	108.4°	109.8°
C03	C02	C01	112.6°	110.7°
C03	C02	C10	107.7°	109.2°
C03	C02	C11	109.5°	109.2°
C02	C03	H3	108.7°	109.5°
C02	C03	H4	108.7°	109.5°
C01	C02	C10	110.4°	109.2°
C01	C02	C11	108.3°	109.2°
C02	C01	H1	108.4°	109.6°
C02	C01	H2	108.4°	109.7°
C10	C02	C11	108.2°	109.2°
C02	C10	H6	109.5°	109.5°
C02	C10	H7	109.5°	109.5°
C02	C10	H8	109.5°	109.5°
C02	C11	H9	109.5°	109.5°
C02	C11	H10	109.4°	109.4°
C02	C11	H11	109.4°	109.5°
H1	C01	H2	109.5°	109.6°
H3	C03	H4	109.5°	109.5°
H6	C10	H7	109.5°	109.5°
H6	C10	H8	109.5°	109.4°
H7	C10	H8	109.4°	109.4°
H9	C11	H10	109.5°	109.5°
H9	C11	H11	109.5°	109.5°
H10	C11	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F14	C13	F16	C09	119.5°	120.0°
F14	C13	F16	F15	121.1°	120.0°
F14	C13	C09	F15	121.6°	120.0°
F14	C13	C09	N08	112.5°	115.0°
F14	C13	C09	C05	68.0°	64.9°
F16	C13	C09	F15	119.2°	120.0°
F16	C13	C09	N08	6.8°	125.0°
F16	C13	C09	C05	172.8°	55.0°
C13	C09	N08	C05	179.6°	180.0°
C13	C09	N08	N07	179.3°	179.9°
C13	C09	C05	C06	179.5°	179.9°
C13	C09	C05	C04	0.5°	0.2°
F15	C13	C09	N08	125.9°	5.0°
F15	C13	C09	C05	53.6°	175.0°
C09	N08	N07	C06	0.3°	0.0°
N08	C09	C05	C06	0.1°	0.1°
N08	C09	C05	C04	179.1°	179.9°
C09	N08	N07	H5	179.7°	180.0°
N07	N08	C09	C05	0.3°	0.0°
N08	N07	C06	H5	180.0°	180.0°
N08	N07	C06	C05	0.2°	0.1°
N08	N07	C06	C03	179.6°	179.8°
C09	C05	C06	N07	0.0°	0.1°
C09	C05	C06	C04	179.2°	180.0°
C09	C05	C06	C03	179.8°	179.8°
C09	C05	C04	O12	6.6°	11.5°
C09	C05	C04	C01	176.1°	168.4°
N07	C06	C05	C03	179.8°	179.9°
N07	C06	C05	C04	179.2°	179.8°
N07	C06	C03	C02	157.3°	159.5°
N07	C06	C03	H3	82.2°	39.6°
N07	C06	C03	H4	36.8°	80.5°
C06	C05	C04	O12	172.2°	168.5°
C06	C05	C04	C01	5.1°	11.5°
C05	C06	C03	C02	22.9°	20.3°
C05	C06	C03	H3	97.5°	140.3°
C05	C06	C03	H4	143.4°	99.6°
C05	C06	N07	H5	179.8°	179.9°
C04	C05	C06	C03	1.1°	0.3°
C05	C04	O12	C01	177.2°	180.0°
C05	C04	C01	C02	31.1°	42.8°
C05	C04	C01	H1	151.7°	76.9°
C05	C04	C01	H2	89.5°	162.6°
C06	C03	C02	H3	120.4°	120.0°
C06	C03	C02	H4	120.5°	120.0°
C06	C03	C02	C01	48.4°	52.5°
C06	C03	C02	C10	170.4°	172.8°
C06	C03	C02	C11	72.2°	67.7°
C06	C03	H3	H4	118.6°	120.2°
C03	C06	N07	H5	0.5°	0.2°
O12	C04	C01	C02	146.1°	137.2°
O12	C04	C01	H1	25.5°	103.1°
O12	C04	C01	H2	93.3°	17.4°
C04	C01	C02	C03	53.3°	64.8°
C04	C01	C02	H1	120.6°	119.7°
C04	C01	C02	H2	120.6°	119.9°
C04	C01	C02	C10	173.8°	174.8°
C04	C01	C02	C11	68.0°	55.5°
C04	C01	H1	H2	118.1°	120.6°
C03	C02	C01	C10	120.4°	120.3°
C03	C02	C01	C11	121.3°	120.3°
C03	C02	C10	C11	118.3°	119.4°
C03	C02	C01	H1	173.9°	54.8°
C03	C02	C01	H2	67.3°	175.2°
C02	C03	H3	H4	118.6°	120.1°
C03	C02	C10	H6	180.0°	61.2°
C03	C02	C10	H7	60.0°	58.9°
C03	C02	C10	H8	60.0°	178.8°
C03	C02	C11	H9	180.0°	178.9°
C03	C02	C11	H10	60.0°	58.8°
C03	C02	C11	H11	60.0°	61.2°
C01	C02	C10	C11	118.4°	119.4°
C02	C01	H1	H2	118.1°	120.4°
C01	C02	C03	H3	72.0°	172.5°
C01	C02	C03	H4	168.9°	67.4°
C01	C02	C10	H6	56.6°	60.0°
C01	C02	C10	H7	63.4°	180.0°
C01	C02	C10	H8	176.7°	60.0°
C01	C02	C11	H9	56.8°	59.9°
C01	C02	C11	H10	176.8°	180.0°
C01	C02	C11	H11	63.2°	60.0°
C10	C02	C01	H1	65.6°	65.5°
C10	C02	C01	H2	53.2°	54.9°
C10	C02	C03	H3	50.0°	67.2°
C10	C02	C03	H4	69.1°	52.9°
C02	C10	H6	H7	120.0°	120.1°
C02	C10	H6	H8	120.0°	120.0°
C02	C10	H7	H8	120.0°	120.0°
C10	C02	C11	H9	62.9°	59.4°
C10	C02	C11	H10	57.1°	60.6°
C10	C02	C11	H11	177.1°	179.4°
C11	C02	C01	H1	52.6°	175.1°
C11	C02	C01	H2	171.4°	64.5°
C11	C02	C03	H3	167.4°	52.2°
C11	C02	C03	H4	48.3°	172.3°
C11	C02	C10	H6	61.7°	179.4°
C11	C02	C10	H7	178.3°	60.6°
C11	C02	C10	H8	58.3°	59.4°
C02	C11	H9	H10	120.0°	120.0°
C02	C11	H9	H11	120.0°	120.0°
C02	C11	H10	H11	120.0°	120.0°
H6	C10	H7	H8	120.0°	119.9°
H9	C11	H10	H11	120.0°	120.0°

Release date:	2013-05-15
Definition date:	2012-11-15
Last modified:	2013-05-10
Release status:	REL
Processing site:	PDBJ
Derived from:	4HY6